Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
Results
Showing 1 to 8 of 8 for “"size-extensive"”.
-
Vibrational many-body methods for molecules and extended systems
… in the formalisms of VSCF that have nonphysical size dependence, leading to compact and strictly size-extensive equations. This size-extensive VSCF method (XVSCF) thus defined has no contributions from cubic force constants and alters only the transition energies of the underlying …
-
Diagrammatic theories for the vibrational many-body problem
… potential energy surface (PES). Diagrammatically size-consistent and basis-set-free vibrational coupled-cluster (XVCC) theory for both zero-point energies and transition frequencies, the latter through the equation-of-motion (EOM) formalism, is defined for an $n$th-order Taylor-series PES. …
-
Genetic variation within the Icelandic goat breed: assessment using population data and DNA analysis
… generation interval, effective population size, highest contributing ancestors and relationship within and between areas. Secondly, microsatellite markers were used for genotyping and various diversity measures were calculated as well as the effective population size. Thirdly, parts of the …
-
Studies of and methods for electronic properties of large chemical systems
… with a mean-field bath. Second, it associates a size extensive correlation energy with a given density matrix (for the models tested), which AGP by itself is incapable of providing. Third, it provides a reasonable description of charge redistribution in strongly correlated but non-periodic …
-
Design, Analysis, and Initial Testing of a Fiber-Optic Shear Gage for 3D, High-Temperature Flows
… can be measured by changing the floating head size. Extensive use of finite element modeling was critical to the design and analysis of the gage. Static structural, modal, and thermal analyses were performed on the flexures using the ANSYS finite element package. Static finite element analysis …
-
Theoretical and Computational Aspects of the Optimized Effective Potential Approach within Density Functional Theory
… is that it can suffer from a lack of size-extensivity—the total energy of a system of infinitely separated monomers may not scale linearly with the total number of monomers depending upon how we construct the Kohn–Sham potential. Typically, a fixed reference potential is employed to …
-
Advanced imaging via multiplexed sensing and compressive sensing
… that ROSL+ has linear complexity of the matrix size. Extensive evaluations demonstrate that ROSL and ROSL+ achieve the state-of-art efficiency in low-rank recovery without compromising the accuracy. The fifth design is a non-local compressive sensing (NLCS) camera for image acquisition. While …
-
Modern Electronic Structure Theory using Tensor Product States
… optimized n-body Tucker method is not size- extensive, a property important for many-body methods. We explore the use of perturbation theory and linearized coupled-cluster methods to obtain a robust yet efficient approximation. Perturbative corrections to the n-body Tucker method have …